Basic information
- CAS
60657-36-5- Standard SMILES
Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2OC1OC(CO)C(O)C(O)C1O- InChIKey
GTPYMQNYDRMGEN-UHFFFAOYSA-N- Molecular formula
- C20H28O8
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.17841785
Overview
NSC280410 has been reported in Pteris dispar, Pteridium aquilinum, and other organisms with data available.
Names & identifiers
- Preferred name
- 6-(2-Hydroxyethyl)-2,5,7-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroinden-1-one
- IUPAC
- 6-(2-hydroxyethyl)-2,5,7-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroinden-1-one
- English name
- Pterosin C 3-glucoside
- Molecular formula
- C20H28O8
- Molecular weight
- 396.44
Names & synonyms
NSC2804106-(2-hydroxyethyl)-2,5,7-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroinden-1-oneDTXSID50314048NSC-280410G889245-(2-Hydroxyethyl)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-1-yl hexopyranosideWallichosidePterosin C 3-glucoside(2S,3S)-Pterosin C 3-O-β-glucopyranoside(2S,3S)-Pterosin C 3-O-β-glucopyranoside,NSC 280410(2S,3S)-3-(β-D-Glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one(2S,3S)-2,3-Dihydro-3-(β-D-glucopyranosyloxy)-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-indene-1-one
Show more names
1H-Inden-1-one, 3-(β-D-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-, (2S,3S)-
Database identifiers
- CAS
60657-36-5- PubChem CID
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Melting point
- 216 · 216-217 °C
- Boiling point
- 660.6 · 660.6±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
UsesWallichoside is a sesquiterpene that can be isolated from Pteris wallichiana[1].
Suppliers11 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
南宁赛菲尔生物科技有限公司18877121284;15078879878 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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